4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=16.589527860517283 stress="-15.657163689126435 0.3683674453433371 0.7154822317389771 0.3683674453433371 -13.214306283332718 0.23633191089890815 0.7154822317389771 0.23633191089890815 -13.718874333030287" pbc="F F F" Na 0.19178619 0.17895518 0.29140871 -5.10764641 -5.24383964 -7.08755129 Na 1.61455359 1.53253581 0.14904689 4.89153735 5.04659202 -3.92085416 Na 1.28091226 0.10609294 1.46603997 5.95350830 -5.06626388 6.17661655 Na -0.19401975 1.32157598 1.51361598 -5.73739924 5.26351151 4.83178890